2-(1-oxo-2,3-dihydroinden-5-yl)-3,4-dihydroisoquinolin-1-one

C18H15NO2 — CID 126575246

IUPAC2-(1-oxo-2,3-dihydroinden-5-yl)-3,4-dihydroisoquinolin-1-one
SMILESO=C1CCc2cc(N3CCc4ccccc4C3=O)ccc21
InChIInChI=1S/C18H15NO2/c20-17-8-5-13-11-14(6-7-15(13)17)19-10-9-12-3-1-2-4-16(12)18(19)21/h1-4,6-7,11H,5,8-10H2
InChIKeyLGAABXHPYUEQAE-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.02
Rot. Bonds1

About 2-(1-oxo-2,3-dihydroinden-5-yl)-3,4-dihydroisoquinolin-1-one

2-(1-oxo-2,3-dihydroinden-5-yl)-3,4-dihydroisoquinolin-1-one (PubChem CID 126575246) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-(1-oxo-2,3-dihydroinden-5-yl)-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name2-(1-oxo-2,3-dihydroinden-5-yl)-3,4-dihydroisoquinolin-1-one
PubChem CID126575246
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name2-(1-oxo-2,3-dihydroinden-5-yl)-3,4-dihydroisoquinolin-1-one
SMILESO=C1CCc2cc(N3CCc4ccccc4C3=O)ccc21
InChIInChI=1S/C18H15NO2/c20-17-8-5-13-11-14(6-7-15(13)17)19-10-9-12-3-1-2-4-16(12)18(19)21/h1-4,6-7,11H,5,8-10H2
InChIKeyLGAABXHPYUEQAE-UHFFFAOYSA-N
XLogP3.02
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 312894
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CID 3739108
CID 3739108
CID 238958
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CID 95793
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CID 276114
CID 276114
CID 11545354
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CID 137653663
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CID 145965602
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CID 1485486
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Frequently Asked Questions

What is the IUPAC name of 2-(1-oxo-2,3-dihydroinden-5-yl)-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 2-(1-oxo-2,3-dihydroinden-5-yl)-3,4-dihydroisoquinolin-1-one (CID 126575246) is 2-(1-oxo-2,3-dihydroinden-5-yl)-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 2-(1-oxo-2,3-dihydroinden-5-yl)-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 2-(1-oxo-2,3-dihydroinden-5-yl)-3,4-dihydroisoquinolin-1-one is O=C1CCc2cc(N3CCc4ccccc4C3=O)ccc21.
What is the InChIKey of 2-(1-oxo-2,3-dihydroinden-5-yl)-3,4-dihydroisoquinolin-1-one?
The InChIKey is LGAABXHPYUEQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c20-17-8-5-13-11-14(6-7-15(13)17)19-10-9-12-3-1-2-4-16(12)18(19)21/h1-4,6-7,11H,5,8-10H2.
What are the key properties of 2-(1-oxo-2,3-dihydroinden-5-yl)-3,4-dihydroisoquinolin-1-one?
2-(1-oxo-2,3-dihydroinden-5-yl)-3,4-dihydroisoquinolin-1-one has a molecular weight of 277.32 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxo-2,3-dihydroinden-5-yl)-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 126575246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).